BMRB: 34093

Solution structure of C20S variant of Dehydroascorbate reductase 3A from Populus trichocarpa in complex with dehydroascorbic acid.

Authors

Roret, T., Tsan, P.

Assembly

Dehydroascorbate reductase family protein

Entity

1. Dehydroascorbate reductase family protein, entity 1 (polymer, Thiol state: all free), 218 monomers, 24309.79 Da Detail

MALEICVKAA VGAPNILGDS PFCQRVLLSL EEKKIPYKSH LINLGDKPQW FLEISPEGKV PVVKIDDKWV ADSDVIVGIL EEKNPEPPLA TPPEFASVGS KIFPSFVKFL KSKDPNDGTE QALLEELKAL DGHLKVHGPF IAGEKITAVD LSLAPKLYHL EVALGHFKNW PIPDNLTHVL NYIKLLFSRE SFKKTRAAEE HVIAGWEPKV NAHHHHHH

2. Dehydroascorbate reductase family protein, entity UU3 (non-polymer), 174.108 Da

Total weight

24483.896 Da

Max. entity weight

24309.79 Da

Source organism

Populus trichocarpa

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 86.7 %, Completeness: 30.7 %, Completeness (bb): 63.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	30.7 % (483 of 1572)	21.7 % (295 of 1357)	87.4 % (188 of 215)
Backbone	63.3 % (399 of 630)	49.1 % (211 of 430)	94.0 % (188 of 200)
Sidechain	8.9 % (84 of 942)	9.1 % (84 of 927)	0.0 % (0 of 15)
Aromatic	2.6 % (3 of 116)	2.7 % (3 of 112)	0.0 % (0 of 4)
Methyl	13.4 % (18 of 134)	13.4 % (18 of 134)

1. entity 1

MALEICVKAA VGAPNILGDS PFCQRVLLSL EEKKIPYKSH LINLGDKPQW FLEISPEGKV PVVKIDDKWV ADSDVIVGIL EEKNPEPPLA TPPEFASVGS KIFPSFVKFL KSKDPNDGTE QALLEELKAL DGHLKVHGPF IAGEKITAVD LSLAPKLYHL EVALGHFKNW PIPDNLTHVL NYIKLLFSRE SFKKTRAAEE HVIAGWEPKV NAHHHHHH

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Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0, Details 0.37 mM [U-100% 15N] dehydroascorbate reductase 3A, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	dehydroascorbate reductase 3A	[U-100% 15N]		0.37 mM

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Chem. Shift Complete2

Sequence coverage: 86.2 %, Completeness: 30.2 %, Completeness (bb): 63.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	30.2 % (950 of 3144)	21.1 % (573 of 2714)	87.7 % (377 of 430)
Backbone	63.3 % (797 of 1260)	49.0 % (421 of 860)	94.0 % (376 of 400)
Sidechain	8.1 % (153 of 1884)	8.2 % (152 of 1854)	3.3 % (1 of 30)
Aromatic	1.3 % (3 of 232)	1.3 % (3 of 224)	0.0 % (0 of 8)
Methyl	12.3 % (33 of 268)	12.3 % (33 of 268)

1. entity 1

MALEICVKAA VGAPNILGDS PFCQRVLLSL EEKKIPYKSH LINLGDKPQW FLEISPEGKV PVVKIDDKWV ADSDVIVGIL EEKNPEPPLA TPPEFASVGS KIFPSFVKFL KSKDPNDGTE QALLEELKAL DGHLKVHGPF IAGEKITAVD LSLAPKLYHL EVALGHFKNW PIPDNLTHVL NYIKLLFSRE SFKKTRAAEE HVIAGWEPKV NAHHHHHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0, Details 0.37 mM [U-100% 15N] dehydroascorbate reductase 3A, 47 mM Dehydroascorbic acid, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
2	Dehydroascorbic acid	natural abundance		47 mM
3	dehydroascorbate reductase 3A	[U-100% 15N]		0.37 mM

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Protein Blocks Logo

Calculated from 20 models in PDB: 5MYE, Strand ID: A Detail

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Release date

2017-03-14

Citation

Insights into ascorbate regeneration in plants: investigating the redox and structural properties of dehydroascorbate reductases from Populus trichocarpa
Lallement, P.A., Roret, T., Tsan, P., Gualberto, J.M., Girardet, J.M., Didierjean, C., Rouhier, N., Hecker, A.
Biochem. J. (2016), 473, 717-731, PubMed 26699905 , DOI 10.1042/BJ20151147 , Abstract

Related entities 1. Dehydroascorbate reductase family protein, entity 1, : 1 : 2 : 146 entities Detail

Experiments performed 2 experiments Detail